The halogen bond
The halogen bond occurs when there is evidence of a net attractive interaction between an
electrophilic region associated with a halogen atom in a molecular entity and a nucleophilic …
electrophilic region associated with a halogen atom in a molecular entity and a nucleophilic …
Triel bond and coordination of triel centres–Comparison with hydrogen bond interaction
SJ Grabowski - Coordination Chemistry Reviews, 2020 - Elsevier
The triel bond may be defined as the interaction of the atom of 13th group that acts as the
Lewis acid centre with the electron rich site of the species playing a role of the Lewis base …
Lewis acid centre with the electron rich site of the species playing a role of the Lewis base …
Halogen bonds: Benchmarks and theoretical analysis
S Kozuch, JML Martin - Journal of chemical theory and …, 2013 - ACS Publications
We carried out an extensive survey of wave function and DFT methods to test their accuracy
on geometries and dissociation energies of halogen bonds (XB). For that purpose, we built …
on geometries and dissociation energies of halogen bonds (XB). For that purpose, we built …
Chalcogen bond: a sister noncovalent bond to halogen bond
W Wang, B Ji, Y Zhang - The Journal of Physical Chemistry A, 2009 - ACS Publications
A sister noncovalent bond to halogen bond, termed chalcogen bond, is defined in this
article. By selecting the complexes H2CS··· Cl−, F2CS··· Cl−, OCS··· Cl−, and SCS··· Cl− as …
article. By selecting the complexes H2CS··· Cl−, F2CS··· Cl−, OCS··· Cl−, and SCS··· Cl− as …
Halogen bonding a novel interaction for rational drug design?
Y Lu, T Shi, Y Wang, H Yang, X Yan… - Journal of Medicinal …, 2009 - ACS Publications
Although recognized in small molecules for quite some time, the implications of halogen
bonding in biomolecular systems are only now coming to light. In this study, several systems …
bonding in biomolecular systems are only now coming to light. In this study, several systems …
Selenium‐Anchored Chlorine Redox Chemistry in Aqueous Zinc Dual‐Ion Batteries
Chlorine‐based batteries with Cl0 to Cl− redox reaction (ClRR) are promising for high‐
performance energystorage due to their high redox potential and large theoretical capacity …
performance energystorage due to their high redox potential and large theoretical capacity …
Nonbonding interactions of organic halogens in biological systems: implications for drug discovery and biomolecular design
Y Lu, Y Wang, W Zhu - Physical Chemistry Chemical Physics, 2010 - pubs.rsc.org
Halogenation is an important approach in lead optimization for drug development and about
half of the molecules used in high-throughput screening are halogenated. However, there is …
half of the molecules used in high-throughput screening are halogenated. However, there is …
Does fluorine participate in halogen bonding?
K Eskandari, M Lesani - Chemistry–A European Journal, 2015 - Wiley Online Library
When R is sufficiently electron withdrawing, the fluorine in the R F molecules could interact
with electron donors (eg, ammonia) and form a noncovalent bond (F⋅⋅⋅ N). Although these …
with electron donors (eg, ammonia) and form a noncovalent bond (F⋅⋅⋅ N). Although these …
C–H Insertion in dirhodium tetracarboxylate-catalyzed reactions despite dynamical tendencies toward fragmentation: implications for reaction efficiency and catalyst …
Rh-catalyzed C–H insertion reactions to form β-lactones suffer from post-transition state
bifurcations, with the same transition states leading to ketones and ketenes via …
bifurcations, with the same transition states leading to ketones and ketenes via …
[HTML][HTML] Understanding noncovalent bonds and their controlling forces
S Scheiner - The Journal of Chemical Physics, 2020 - pubs.aip.org
The fundamental underpinnings of noncovalent bonds are presented, focusing on the σ-hole
interactions that are closely related to the H-bond. Different means of assessing their …
interactions that are closely related to the H-bond. Different means of assessing their …